Benzene → HCID 23117831, compound

HRID 119581Notes

Reaction equation

HRID 119581 reaction equation
[CH3:1][CH2:2][C:3]([CH2:4][CH3:5])=[O:6].[CH:19]1([NH:25][c:26]2[c:27]([F:47])[cH:28][c:29]3[c:30](=[O:46])[c:31]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[cH:32][n:33]([CH:36]([CH2:37][OH:38])[CH2:39][OH:40])[c:34]3[cH:35]2)[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]1.[OH2:7].[c:8]1([CH3:9])[cH:10][cH:11][c:12]([S:13]([OH:14])(=[O:15])=[O:16])[cH:17][cH:18]1.[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH3:1][CH2:2][C:3]1([CH2:4][CH3:5])[O:6][CH2:39][CH:36]([n:33]2[cH:32][c:31]([C:41](=[O:42])[O:43][CH2:44][CH3:45])[c:30](=[O:46])[c:29]3[cH:28][c:27]([F:47])[c:26]([NH:25][CH:19]4[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]4)[cH:35][c:34]32)[CH2:37][O:38]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 7288Ethyl ketoneHCID 23117877HCID 23117877, compound

Product 1

HCID 23117831HCID 23117831, compound

Sources & evidence

ORD record
ord-9bea7909c97649f68bf92fa90ecf2067
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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